Information card for entry 2004081

Structure parameters

• Common name: 2,6-dimethylanilinium chloride
• Chemical name: 2,6-dimethylphenylammonium chloride
• Formula: C8 H12 Cl N
• Calculated formula: C8 H12 Cl N
• SMILES: [Cl-].[NH3+]c1c(cccc1C)C
• Title of publication: 2,6-Dimethylphenylammonium Chloride at 173 and 293 K
• Authors of publication: Linden, A.; James, B. D.; Liesegang, J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 11
• Pages of publication: 2317 - 2320
• a: 12.666 ± 0.001 Å
• b: 8.552 ± 0.002 Å
• c: 8.034 ± 0.002 Å
• α: 90°
• β: 95.49 ± 0.01°
• γ: 90°
• Cell volume: 866.2 ± 0.3 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for all reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0413
• Goodness-of-fit parameter for significantly intense reflections: 1.669
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No